1,5,7-trimethyl-3-(piperazin-2-ylmethyl)indole

C16H23N3 — CID 84636749

IUPAC1,5,7-trimethyl-3-(piperazin-2-ylmethyl)indole
SMILESCc1cc(C)c2c(c1)c(CC1CNCCN1)cn2C
InChIInChI=1S/C16H23N3/c1-11-6-12(2)16-15(7-11)13(10-19(16)3)8-14-9-17-4-5-18-14/h6-7,10,14,17-18H,4-5,8-9H2,1-3H3
InChIKeyKLXZUKFJYQUPJM-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.90
Rot. Bonds2

About 1,5,7-trimethyl-3-(piperazin-2-ylmethyl)indole

1,5,7-trimethyl-3-(piperazin-2-ylmethyl)indole (PubChem CID 84636749) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1,5,7-trimethyl-3-(piperazin-2-ylmethyl)indole.

Molecular Properties

Compound Name1,5,7-trimethyl-3-(piperazin-2-ylmethyl)indole
PubChem CID84636749
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1,5,7-trimethyl-3-(piperazin-2-ylmethyl)indole
SMILESCc1cc(C)c2c(c1)c(CC1CNCCN1)cn2C
InChIInChI=1S/C16H23N3/c1-11-6-12(2)16-15(7-11)13(10-19(16)3)8-14-9-17-4-5-18-14/h6-7,10,14,17-18H,4-5,8-9H2,1-3H3
InChIKeyKLXZUKFJYQUPJM-UHFFFAOYSA-N
XLogP1.90
TPSA28.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-(piperazin-2-ylmethyl)indole
CID 84625891
6-methoxy-1-methyl-3-(piperazin-2-ylmethyl)indole
CID 84637870
3-ethyl-1,5,7-trimethylindole
CID 165358594
2-[(2,5-dimethylphenyl)methyl]piperazine
CID 82282920
1,5,7-trimethyl-3-(1-methylpiperazin-2-yl)indole
CID 84636743
2-[(5-chloro-2-methoxy-3-methylphenyl)methyl]piperazine
CID 116825296
1,7-dimethyl-3-[(1-methylpiperazin-2-yl)methyl]indole
CID 84636732
1-ethyl-5,7-dimethyl-3-(2-piperazin-1-ylethyl)indole
CID 83948952
1,5-dimethyl-3-(piperidin-3-ylmethyl)indole
CID 84630406
2-methyl-5-(piperazin-2-ylmethyl)phenol
CID 22342761
2-(1,4,7,10,13-pentazacyclopentadec-2-ylmethyl)phenol
CID 21338454
5-bromo-3-(piperazin-2-ylmethyl)-1H-indole
CID 84644063

Frequently Asked Questions

What is the IUPAC name of 1,5,7-trimethyl-3-(piperazin-2-ylmethyl)indole?
The IUPAC name of 1,5,7-trimethyl-3-(piperazin-2-ylmethyl)indole (CID 84636749) is 1,5,7-trimethyl-3-(piperazin-2-ylmethyl)indole.
What is the SMILES notation for 1,5,7-trimethyl-3-(piperazin-2-ylmethyl)indole?
The canonical SMILES for 1,5,7-trimethyl-3-(piperazin-2-ylmethyl)indole is Cc1cc(C)c2c(c1)c(CC1CNCCN1)cn2C.
What is the InChIKey of 1,5,7-trimethyl-3-(piperazin-2-ylmethyl)indole?
The InChIKey is KLXZUKFJYQUPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-11-6-12(2)16-15(7-11)13(10-19(16)3)8-14-9-17-4-5-18-14/h6-7,10,14,17-18H,4-5,8-9H2,1-3H3.
What are the key properties of 1,5,7-trimethyl-3-(piperazin-2-ylmethyl)indole?
1,5,7-trimethyl-3-(piperazin-2-ylmethyl)indole has a molecular weight of 257.38 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,7-trimethyl-3-(piperazin-2-ylmethyl)indole is sourced from PubChem (CID 84636749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).